Thermodynamic and Static Properties of Alkali Halide Microclusters

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概要

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• Behaviour of alkali-halide microclusters (MX), at finite temperatures is invesligated by Monte Carlo simulation for sizes n = 4, 8 and 18. The occurrence of thefirst-order phase transitions between solid-, liquid-, and gas-like phases is indicated,and the aspect of liquid-like clusters is discussed in detail. Furthermore, the bindingenergy of charged alkali-halide cltusters [(MX),Ml" for sizes from n = 60 up to 106 isevaluated via the optimization of atomic positions; a stepwise increase of the bindingenergy per particle with n is found. The correlation with an experimental SUMS spectrum of [(Csl).Cs]" is also discussed.

• 社団法人日本物理学会の論文
• 1990-11-15

著者

• SAKAMOTO Yoshifumi

  Department of Electrical Engineering, Faculty of Engineering, Osaka University

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